Dehydrodicentrine
AlkaPlorer ID: AK088614
Synonym: None
IUPAC Name: 16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C3C(=CC4=C1OCO4)CCN(C)C3=C2
InChI: InChI=1S/C20H19NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h6-9H,4-5,10H2,1-3H3
InChIKey: HIZKFQOZVOUKDP-UHFFFAOYSA-N
Reference
PubChem CID: 3084326
CAS: 19843-03-9
LOTUS: LTS0179418
NPASS: NPC312531
COCONUT: CNP0245792
data_source: manually
Source
Properties Information
Molecule Weight: 337.37500000000006
TPSA？: 40.16
MolLogP？: 3.731200000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Aorta | Activity | 95.5 | % | 10.1021/np50123a013 |
| Rattus norvegicus | Aorta | Activity | 108.0 | % | 10.1021/np50123a013 |
| None | ADMET | Activity | nan | None | 10.1021/np50123a013 |